Dimethyl isobutylmalonate
TL;DR: Dimethyl isobutylmalonate (CAS 51764-05-7) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(2-methylpropyl)propanedioate
Also Known As: Dimethyl 2-isobutylmalonate, Dimethyl isobutylmalonate, Dimethylisobutylmalonate, Dimethyl2-isobutylmalonate, dimethyl 2-(2-methylpropyl)propanedioate
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 51764-05-7 |
|---|---|
| SMILES | CC(C)CC(C(=O)OC)C(=O)OC |
| InChIKey | GAZFDPSEEIVCEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl isobutylmalonate (CAS 51764-05-7), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: dimethyl 2-(2-methylpropyl)propanedioate.
Chemical Property Profile of Dimethyl isobutylmalonate
Property Insights of Dimethyl isobutylmalonate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl isobutylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl isobutylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl isobutylmalonate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethyl isobutylmalonate?
The CAS number of Dimethyl isobutylmalonate is 51764-05-7.
What is the molecular formula of Dimethyl isobutylmalonate?
The molecular formula of Dimethyl isobutylmalonate is C9H16O4.
What is the molecular weight of Dimethyl isobutylmalonate?
The molecular weight of Dimethyl isobutylmalonate is 188.10 g/mol.
Where can I buy Dimethyl isobutylmalonate?
You can request a quote for Dimethyl isobutylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl isobutylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl isobutylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.